SCHEMBL7994441

SCHEMBL7994441

C=CC(=O)OC(C)COC(=O)OCC(C)OC(=O)C=C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.59
HPGD P15428 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS1 P23219 1/20 0.32
APEX1 P27695 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL268430 0.90 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30589890 0.90 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17942958 0.89 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL8565034 0.88 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15495109 0.88 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3925808 0.86 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6840513 0.86 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL16859720 0.86 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2612017 0.86 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2608248 0.86 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6296783-B1 CARBONATE OR ETHER DI(METH)ACRYLATE MONOMERS, NONAQUEOUS CYCLIC CARBONATE SOLVENT, AND ALKALI METAL COMPOUND; IONIC CONDUCTIVITY; ELECTROCHROMIC DISPLAY; BATTERIES, CAPACITORS; CHEMICAL RESISTANCE, STABILITY MITSUI CHEMICALS, INC. (JP) 2001-10-02 US disclosed
EP-0896340-A1 GEL-FORM SOLID POLYMER ELECTROLYTE Mitsui Chemicals, Inc. (JP) 1999-02-10 EP disclosed